REMARK  Name = BDB031508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.399   1.389   2.461  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.629   0.842   1.530  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.533   1.462   0.147  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -1.722   1.435   2.473  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.609   1.370   3.548  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.453   0.407   2.741  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        5.599  -0.780  -2.142  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        4.785  -2.018  -1.906  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        4.939  -3.035  -2.575  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        3.851  -1.970  -0.902  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        3.315  -2.814  -0.757  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        3.625  -0.833  -0.120  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.370   0.324  -0.344  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        4.217   1.463   0.361  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.271   1.444   1.330  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.477   0.337   1.637  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.666  -0.829   0.885  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.377   0.319  -1.399  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        7.882  -1.563  -2.840  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        6.615  -0.825  -3.249  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1       -2.878   0.608   2.749  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.850   0.502   1.792  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -4.119   1.430   0.796  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1       -5.099   1.286  -0.126  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1       -5.867   0.171  -0.041  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -5.687  -0.804   0.936  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -4.661  -0.627   1.865  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.955   0.032  -1.064  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1       -7.176  -1.254  -1.539  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -6.455  -1.948  -1.393  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -8.103  -1.471  -2.622  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1       -7.588   1.006  -1.456  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6